Glycoside
GD118709
Name:
7-Hydroxytrillenoside AFormula:
C47H70O25Smiles:
CC1COC2(OC3C(=O)C4=C(CCC5C4C(O)C=C4CC(O)CC(OC6OCC(O)C(OC7OCC(O)C(O)C7O)C6OC6OC(C)C(O)C(OC7OCC(O)(CO)C7O)C6O)C45C)C3C2CO)C(O)C1OAglycone:
CC1COC2(OC3C(=O)C4=C(CCC5C4C(O)C=C4CC(O)CC(O)C45C)C3C2CO)C(O)C1OSugarmoiety:
CC1OC(OC2C(O)OCC(O)C2OC2OCC(O)C(O)C2O)C(O)C(OC2OCC(O)(CO)C2O)C1OOther Identifiers
Properties
| HBA: | 25 | RingCount: | 10 |
| HBD: | 14 | FractionCSP3: | 0.89 |
| AlogP: | -6.33 | Num_rotatable_bonds: | 10 |
| MolWt: | 1035.05 | Num_heavy_atoms: | 72 |
| TPSA: | 392.59 | NumAromaticRings: | 0 |
Unique Aglycone
AD47487
Formula: C26H36O9
Smiles:
CC1COC2(OC3C(=O)C4=C(CCC5C4C(O)C=C4CC(O)CC(O)C45C)C3C2CO)C(O)C1O| HBA: | 9 | RingCount: | 6 |
| HBD: | 6 | FractionCSP3: | 0.81 |
| AlogP: | -0.58 | Num_rotatable_bonds: | 1 |
| MolWt: | 492.57 | Num_heavy_atoms: | 35 |
| TPSA: | 156.91 | NumAromaticRings: | 0 |
